5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide

C18H16ClNO2 — CID 9427401

IUPAC5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESC[C@@H](CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1
InChIInChI=1S/C18H16ClNO2/c1-12(13-5-3-2-4-6-13)11-20-18(21)17-10-14-9-15(19)7-8-16(14)22-17/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyKLIGJHCUMCKQRP-LBPRGKRZSA-N
MW313.78 g/mol
LogP4.62
Rot. Bonds4

About 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 9427401) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
PubChem CID9427401
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESC[C@@H](CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1
InChIInChI=1S/C18H16ClNO2/c1-12(13-5-3-2-4-6-13)11-20-18(21)17-10-14-9-15(19)7-8-16(14)22-17/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyKLIGJHCUMCKQRP-LBPRGKRZSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
7-chloro-N-[(2S)-2-phenylpropyl]furo[2,3-b]quinoline-2-carboxamide
CID 92502311
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
5-chloro-N-[(2-methylsulfanylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 11616917
4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 75383586
5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide
CID 46592179
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 166227335
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide (CID 9427401) is 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide is C[C@@H](CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is KLIGJHCUMCKQRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12(13-5-3-2-4-6-13)11-20-18(21)17-10-14-9-15(19)7-8-16(14)22-17/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 313.78 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9427401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).